N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide

C21H20F3N3O6 — CID 2216992

IUPACN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C21H20F3N3O6/c1-31-14-9-13(10-15(32-2)16(14)33-3)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,25,28)(H,26,30)/t20-/m0/s1
InChIKeyGVHWGBVCCQHAEA-FQEVSTJZSA-N
MW467.40 g/mol
LogP2.45
Rot. Bonds7

About N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide

N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide (PubChem CID 2216992) has the molecular formula C21H20F3N3O6 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
PubChem CID2216992
Molecular FormulaC21H20F3N3O6
Molecular Weight467.40 g/mol
Exact Mass467.13
IUPAC NameN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC
InChIInChI=1S/C21H20F3N3O6/c1-31-14-9-13(10-15(32-2)16(14)33-3)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,25,28)(H,26,30)/t20-/m0/s1
InChIKeyGVHWGBVCCQHAEA-FQEVSTJZSA-N
XLogP2.45
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843
N-[(4R)-2,5-dioxo-1-(3-phenylpropyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
CID 2066814
N-[(4S)-1-[(2,3-dimethoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2024553
N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 4904947
N-[4-benzoyl-1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-3,4,5-trimethoxybenzamide
CID 4276552
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
4-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3785162

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide (CID 2216992) is N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC.
What is the InChIKey of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is GVHWGBVCCQHAEA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20F3N3O6/c1-31-14-9-13(10-15(32-2)16(14)33-3)17(28)25-20(21(22,23)24)18(29)27(19(30)26-20)11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,25,28)(H,26,30)/t20-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide?
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 467.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2216992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).